NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6715 8.3649 120.2009 54.4387 41.2469 176.1591 8 C 5.0068 8.2098 128.4305 54.3087 35.9597 174.4650 9 S 4.2274 9.4833 118.3733 61.3635 64.1603 175.1846 10 E 4.4721 8.3145 117.8735 56.4615 28.9700 175.3352 11 Y 4.6146 7.7077 116.9222 54.9801 41.2519 173.5351 12 P 4.9905 0.0000 0.0000 62.6633 30.9851 175.6829 13 K 4.5970 8.7721 118.2289 53.7275 34.7267 176.2023 14 P 4.4574 0.0000 0.0000 65.3308 31.6489 176.0021 15 A 4.6566 7.0933 117.7311 51.3325 22.2516 174.5359 16 C 5.1524 8.3726 116.4694 54.9139 43.8645 174.7376 17 T 4.2810 8.4304 112.6180 61.9180 69.2976 173.9712 18 L 4.8608 8.1084 120.5525 54.1133 42.3602 176.8459 19 E 4.2903 8.1150 115.4894 55.8986 31.0290 175.3463 20 Y 4.7503 8.4293 121.7033 56.6020 39.3222 175.8709 21 R 4.4548 8.7993 127.9679 54.2125 33.3602 172.8758 22 P 4.5783 0.0000 0.0000 62.4588 33.0784 175.3366 23 L 4.9662 8.9044 120.4603 53.0926 46.3894 174.5304 24 C 5.0329 8.6698 121.9056 54.7887 46.4076 173.8597 25 G 4.6272 9.1418 114.4025 45.5021 0.0000 174.5041 26 S 4.3608 9.1131 115.4017 60.0232 63.1181 174.7806 27 D 4.5953 8.1323 119.5207 53.0595 39.5781 176.1775 28 N 4.2787 8.2520 115.9038 54.1484 36.6938 173.2641 29 K 4.4707 7.9994 120.0581 55.0006 34.2558 175.5597 30 T 4.4834 8.3333 124.1421 63.7012 69.2666 173.3974 31 Y 4.3667 9.1001 125.4526 56.3921 39.3555 177.4746 32 G 3.6383 9.0694 113.4992 48.4508 0.0000 172.4153 33 N 5.3110 7.6369 117.1042 51.5410 41.1235 175.1366 34 K 4.0132 8.5406 120.7751 59.7238 32.1820 179.0335 35 C 4.7266 8.2165 119.7916 59.1860 41.1224 175.1598 36 N 4.3439 9.0050 118.5639 56.1827 38.1366 176.9869 37 F 3.3089 8.3335 122.0152 61.5066 39.4169 176.5607 38 C 3.6473 8.3007 116.2084 59.6660 40.4605 175.9350 39 N 4.2336 7.8603 117.8827 56.3235 38.1644 177.3220 40 A 3.8941 7.6332 122.1124 54.8202 18.3389 179.8140 41 V 3.1319 7.1408 116.8624 65.9075 31.4443 178.3137 42 V 3.4482 7.6043 117.9311 66.1786 31.1834 177.4229 43 E 3.8804 7.9109 117.6183 59.0813 29.5331 178.0590 44 S 4.3604 7.8837 112.0664 57.4475 63.4822 173.5725 45 N 3.9372 8.9868 120.2924 55.0869 37.4588 174.6301 46 G 3.8901 8.1230 102.1032 46.0005 0.0000 175.4683 47 T 4.0715 7.4464 118.2002 65.3400 68.8544 175.5141 48 L 4.2178 7.6061 123.1892 54.8093 42.7654 175.5010 49 T 4.8979 8.5624 114.4774 59.7716 73.0740 172.1024 50 L 4.2102 8.3978 124.0477 54.6936 42.2719 176.1083 51 S 4.3510 8.8922 122.8024 60.6898 62.7813 173.2905 52 H 4.3889 7.0929 112.2123 54.8040 31.1970 172.7855 53 F 4.3641 8.6508 117.7793 58.1000 39.5122 176.4559 54 G 3.9071 8.3356 110.2069 44.3472 0.0000 173.3861 55 K 4.1603 8.1109 117.2340 56.4359 32.6206 178.1766 56 C 4.5256 8.8404 118.0475 57.4816 41.1023 173.8762 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 D 8.36 4.67 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.21 5.01 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.48 4.23 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.31 4.47 0.00 1.71 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 11 Y 7.71 4.61 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.99 0.00 2.22 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 13 K 8.77 4.60 0.00 1.82 1.75 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.28 7.81 14 P 0.00 4.46 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.09 4.66 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.37 5.15 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.43 4.28 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 L 8.11 4.86 0.00 1.66 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.12 4.29 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 20 Y 8.43 4.75 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.80 4.45 0.00 1.66 1.75 0.00 3.20 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 22 P 0.00 4.58 0.00 1.93 1.54 0.00 3.32 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 23 L 8.90 4.97 0.00 1.38 1.09 0.61 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.67 5.03 0.00 2.94 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.14 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.11 4.36 0.00 3.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.13 4.60 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.25 4.28 0.00 2.91 2.99 0.00 0.00 6.75 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.00 4.47 0.00 1.75 1.66 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.45 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.50 1.10 7.81 30 T 8.33 4.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 Y 9.10 4.37 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.07 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.64 5.31 0.00 3.00 3.09 0.00 0.00 6.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.54 4.01 0.00 1.90 1.93 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.58 7.81 35 C 8.22 4.73 0.00 3.23 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.00 4.34 0.00 3.19 3.08 0.00 0.00 6.65 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.33 3.31 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.30 3.65 0.00 1.63 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.86 4.23 0.00 2.96 2.88 0.00 0.00 6.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.63 3.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.14 3.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.05 0.00 0.00 42 V 7.60 3.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 43 E 7.91 3.88 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 44 S 7.88 4.36 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.99 3.94 0.00 2.81 2.89 0.00 0.00 7.18 8.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.45 4.07 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 L 7.61 4.22 0.00 1.50 1.33 1.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 L 8.40 4.21 0.00 1.18 1.33 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.89 4.35 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.09 4.39 0.00 3.22 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.36 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.11 4.16 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.55 7.81 56 C 8.84 4.53 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00